LMPK12050283
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.5807   10.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5807    9.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4222    8.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2636    9.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2636   10.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4222   10.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1051    8.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9466    9.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9466   10.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1051   10.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7877    8.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7877    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6874    7.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5870    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5870    8.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6874    9.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1051    7.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7395    8.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7395   10.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4222    7.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7395    7.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    7.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6874   10.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5751    7.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1858    8.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5751    9.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2236    8.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7426    7.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7426    9.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2615    8.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 15  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050283

> <COMMON_NAME>
Lupinisoflavone I

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SJURKDVGGXRZLU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-12(2)5-6-14-17(26)10-19-21(23(14)28)24(29)16(11-31-19)13-7-8-18-15(22(13)27)9-20(32-18)25(3,4)30/h5,7-8,10-11,20,26-28,30H,6,9H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(O)C4CC(C(O)(C)C)OC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$